Geometry & MOs

Info

ID:

328448

PubChem CID:

126723094

Reduced:

O5C18H27 (2)

Stoich.:

A5B18C27 (2)

Weight, g/mol:

491.15326

ΔHf, kcal/mol:

-424.71

Dipole, Da:

2.56

IP(EA), eV:

 -9.64(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-6-[(2S)-5-(1,4-dioxaspiro[4.5]decan-3-yl)oxolan-2-yl]-4-(2-iodoethoxy)-2-methylhexanenitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCO[C@@H](C1=C)CC2[C@@H]([C@H](CO2)OC)CC(=O)C[C@H]3CC[C@H]4C(O3)[C@@H]([C@H]5C(O4)C6[C@H](O5)C[C@@](O6)(C)CC[C@H]7CC(=C)CO7)O

DOS

IR

Vibrations